SCHEMBL6603502

SCHEMBL6603502

CC(=O)Nc1ccc(C(=O)N2CCCC(c3ccc4c(c3)OCO4)=N2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
PGR P06401 8/20 0.51
ALDH1A1 P00352 5/20 0.49
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49
HPGD P15428 1/20 0.49
RECQL P46063 1/20 0.49
RAB9A P51151 1/20 0.49
GAA P10253 1/20 0.49
ADORA3 P0DMS8 3/20 0.47
ADORA1 P30542 2/20 0.47
ADORA2A P29274 1/20 0.47
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6604801 0.90 ALDH1A1 (0.49) MAPTPGRALDH1A1NPC1PKM
SCHEMBL144113 0.87 RAB9A (0.59) MAPTPGRALDH1A1NPC1PKM
SCHEMBL6600744 0.86 AHR (0.61) MAPTPGRALDH1A1NPC1PKM
SCHEMBL6606418 0.85 MAPT (0.50) MAPTPGRALDH1A1NPC1PKM
SCHEMBL6602828 0.84 NPC1 (0.61) MAPTPGRALDH1A1NPC1PKM
SCHEMBL6600335 0.84 MAPT (0.48) MAPTPGRALDH1A1NPC1PKM
SCHEMBL6603267 0.84 MAPT (0.61) MAPTPGRALDH1A1NPC1PKM
SCHEMBL6601189 0.84 PGR (0.56) MAPTPGRALDH1A1PKMHPGD
SCHEMBL145733 0.83 ALDH1A1 (0.56) MAPTPGRALDH1A1NPC1PKM
SCHEMBL6602633 0.83 NPC1 (0.48) MAPTPGRALDH1A1NPC1PKM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0922036-B1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GMBH (DE) 2004-03-24 EP disclosed
US-6479494-B1 THEY INHIBIT SELECTIVELY PHOSPHODIESTERASE IV, WHICH CAUSES AN INCREASE OF THE INTRACELLULAR CAMP LEVEL AS CAMP INHIBITS BONE DECREASING CELLS AND STIMULATES BONE INCREASING CELLS FOR TREATMENT OF OSTEOPOROSIS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-11-12 US disclosed
EP-1143944-A3 USE OF ARYLALKANOYLPYRIDAZINES MERCK PATENT GmbH (DE) 2002-09-11 EP disclosed
EP-1143944-A2 USE OF ARYLALKANOYLPYRIDAZINES MERCK PATENT GmbH (DE) 2001-10-17 EP disclosed
WO-2000059484-A2 USE OF ARYLALKANOYLPYRIDAZINES MERCK PATENT GMBH (DE) 2000-10-12 WO disclosed
US-6107295-A Arylalkanoyl pyridazines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-22 US disclosed
EP-0922036-A1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GmbH (DE) 1999-06-16 EP disclosed
WO-1998006704-A1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GMBH (DE) 1998-02-19 WO disclosed